Molecule

ID:80970

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChIKey
PJVWPGGKILHMKW-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)Cn1cccc1
Isomeric Smiles
n1(cccc1)Cc1cnccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6116877
LogD (pH = 7.4)
1.7808049
Log P
1.7836066
Molar Refractivity
48.1692
Polarizability
18.50777
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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